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CAS 22245-89-2 1,3,4,5-TETRAHYDRO-7-METHOXY-2H-1-BENZAZEPIN-2-ONE molecular structure lightbox
CAS RN: 22245-89-2

1,3,4,5-TETRAHYDRO-7-METHOXY-2H-1-BENZAZEPIN-2-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-107092
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22245-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

22245-89-2 / 7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one

Standard CAS: 22245-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22245-89-2
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
COC1=CC2=C(C=C1)NC(=O)CCC2
InChI
InChI=1S/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(13)12-10/h5-7H,2-4H2,1H3,(H,12,13)
InChIKey
GZRSCYDBGFKKHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.56
TPSA
38.33

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
1.4
Consensus LogP
1.7
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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